Friday, April 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone
CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone
IUPAC NAME: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SYSTEMATIC NAME: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone
MOLECULAR FORMULA: C15H18N4OS
MOLECULAR WEIGHT: 302.39462
SMILES: CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCCC3
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Product OPENEYE NAME: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CAS Name: N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]-2-furancarboxamide
IUPAC NAME: N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C17H12F3N3O3S
MOLECULAR WEIGHT: 395.35569
SMILES: CC(=O)CC1=NSC(=N1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: N-[(3aS,8aS)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-thiazolo[5,4-c]azepin-2-yl]acetamide
CAS Name: N-[(3aS,8aS)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-thiazolo[5,4-c]azepin-2-yl]acetamide
IUPAC NAME: N-[(3aS,8aS)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]azepin-2-yl]acetamide
SYSTEMATIC NAME: N-[(3aS,8aS)-7,7-dimethyl-4-oxidanylidene-5,6,8,8a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]azepin-2-yl]ethanamide
MOLECULAR FORMULA: C11H17N3O2S
MOLECULAR WEIGHT: 255.33658
SMILES: CC(=O)NC1=N[C@H]2CC(CNC(=O)[C@H]2S1)(C)C
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Product OPENEYE NAME: N-[(3aR,8aS)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-thiazolo[5,4-c]azepin-2-yl]acetamide
CAS Name: N-[(3aR,8aS)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-thiazolo[5,4-c]azepin-2-yl]acetamide
IUPAC NAME: N-[(3aR,8aS)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]azepin-2-yl]acetamide
SYSTEMATIC NAME: N-[(3aR,8aS)-7,7-dimethyl-4-oxidanylidene-5,6,8,8a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]azepin-2-yl]ethanamide
MOLECULAR FORMULA: C11H17N3O2S
MOLECULAR WEIGHT: 255.33658
SMILES: CC(=O)NC1=N[C@H]2CC(CNC(=O)[C@@H]2S1)(C)C
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Product OPENEYE NAME: N-[(3aS,8aR)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-thiazolo[5,4-c]azepin-2-yl]acetamide
CAS Name: N-[(3aS,8aR)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-thiazolo[5,4-c]azepin-2-yl]acetamide
IUPAC NAME: N-[(3aS,8aR)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]azepin-2-yl]acetamide
SYSTEMATIC NAME: N-[(3aS,8aR)-7,7-dimethyl-4-oxidanylidene-5,6,8,8a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]azepin-2-yl]ethanamide
MOLECULAR FORMULA: C11H17N3O2S
MOLECULAR WEIGHT: 255.33658
SMILES: CC(=O)NC1=N[C@@H]2CC(CNC(=O)[C@H]2S1)(C)C
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Product OPENEYE NAME: N-[(3aR,8aR)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-thiazolo[5,4-c]azepin-2-yl]acetamide
CAS Name: N-[(3aR,8aR)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-thiazolo[5,4-c]azepin-2-yl]acetamide
IUPAC NAME: N-[(3aR,8aR)-7,7-dimethyl-4-oxo-5,6,8,8a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]azepin-2-yl]acetamide
SYSTEMATIC NAME: N-[(3aR,8aR)-7,7-dimethyl-4-oxidanylidene-5,6,8,8a-tetrahydro-3aH-[1,3]thiazolo[5,4-c]azepin-2-yl]ethanamide
MOLECULAR FORMULA: C11H17N3O2S
MOLECULAR WEIGHT: 255.33658
SMILES: CC(=O)NC1=N[C@@H]2CC(CNC(=O)[C@@H]2S1)(C)C
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Product OPENEYE NAME: 2-chloro-N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-thiazolo[5,4-c]azepin-2-yl)benzamide
CAS Name: 2-chloro-N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-thiazolo[5,4-c]azepin-2-yl)benzamide
IUPAC NAME: 2-chloro-N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(7,7-dimethyl-4-oxidanylidene-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
MOLECULAR FORMULA: C16H16ClN3O2S
MOLECULAR WEIGHT: 349.83514
SMILES: CC1(CC2=C(C(=O)NC1)SC(=N2)NC(=O)C3=CC=CC=C3Cl)C
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Product OPENEYE NAME: 2-chloro-N-(4-oxo-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-2-yl)benzamide
CAS Name: 2-chloro-N-(4-oxo-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-2-yl)benzamide
IUPAC NAME: 2-chloro-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(4-oxidanylidene-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
MOLECULAR FORMULA: C14H12ClN3O2S
MOLECULAR WEIGHT: 321.78198
SMILES: C1CC2=C(C(=O)NC1)SC(=N2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: (2R)-1-morpholino-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CAS Name: (2R)-1-(4-morpholinyl)-3-(2,3,5-trimethyl-1-indolyl)-2-propanol
IUPAC NAME: (2R)-1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2R)-1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
MOLECULAR FORMULA: C18H26N2O2
MOLECULAR WEIGHT: 302.41124
SMILES: CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@@H](CN3CCOCC3)O
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Product OPENEYE NAME: (2S)-1-morpholino-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CAS Name: (2S)-1-(4-morpholinyl)-3-(2,3,5-trimethyl-1-indolyl)-2-propanol
IUPAC NAME: (2S)-1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2S)-1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
MOLECULAR FORMULA: C18H26N2O2
MOLECULAR WEIGHT: 302.41124
SMILES: CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@H](CN3CCOCC3)O
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Product OPENEYE NAME: (2S)-1-(benzotriazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CAS Name: (2S)-1-(1-benzotriazolyl)-3-(2,3,5-trimethyl-1-indolyl)-2-propanol
IUPAC NAME: (2S)-1-(benzotriazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2S)-1-(benzotriazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
MOLECULAR FORMULA: C20H22N4O
MOLECULAR WEIGHT: 334.41488
SMILES: CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@@H](CN3C4=CC=CC=C4N=N3)O
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Product OPENEYE NAME: (2R)-1-(benzotriazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CAS Name: (2R)-1-(1-benzotriazolyl)-3-(2,3,5-trimethyl-1-indolyl)-2-propanol
IUPAC NAME: (2R)-1-(benzotriazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2R)-1-(benzotriazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
MOLECULAR FORMULA: C20H22N4O
MOLECULAR WEIGHT: 334.41488
SMILES: CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@H](CN3C4=CC=CC=C4N=N3)O
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Product OPENEYE NAME: (2S)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CAS Name: (2S)-1-(3,5-dimethyl-1-pyrazolyl)-3-(2,3,5-trimethyl-1-indolyl)-2-propanol
IUPAC NAME: (2S)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2S)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
MOLECULAR FORMULA: C19H25N3O
MOLECULAR WEIGHT: 311.4213
SMILES: CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@@H](CN3C(=CC(=N3)C)C)O
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Product OPENEYE NAME: (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CAS Name: (2R)-1-(3,5-dimethyl-1-pyrazolyl)-3-(2,3,5-trimethyl-1-indolyl)-2-propanol
IUPAC NAME: (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
MOLECULAR FORMULA: C19H25N3O
MOLECULAR WEIGHT: 311.4213
SMILES: CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@H](CN3C(=CC(=N3)C)C)O
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Product OPENEYE NAME: (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CAS Name: (2R)-1-[4-(2-hydroxyethyl)-1-piperazinyl]-3-(2,3,5-trimethyl-1-indolyl)-2-propanol
IUPAC NAME: (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
MOLECULAR FORMULA: C20H31N3O2
MOLECULAR WEIGHT: 345.47904
SMILES: CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@@H](CN3CCN(CC3)CCO)O
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Product OPENEYE NAME: (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CAS Name: (2S)-1-[4-(2-hydroxyethyl)-1-piperazinyl]-3-(2,3,5-trimethyl-1-indolyl)-2-propanol
IUPAC NAME: (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SYSTEMATIC NAME: (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
MOLECULAR FORMULA: C20H31N3O2
MOLECULAR WEIGHT: 345.47904
SMILES: CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@H](CN3CCN(CC3)CCO)O
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Product OPENEYE NAME: 2-(cyclohexylamino)-4,6-dimethyl-pyridine-3-carbonitrile
CAS Name: 2-(cyclohexylamino)-4,6-dimethyl-3-pyridinecarbonitrile
IUPAC NAME: 2-(cyclohexylamino)-4,6-dimethylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2-(cyclohexylamino)-4,6-dimethyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C14H19N3
MOLECULAR WEIGHT: 229.32076
SMILES: CC1=CC(=NC(=C1C#N)NC2CCCCC2)C
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Product OPENEYE NAME: 5-chloro-3-methyl-N-(8-methyl-5-quinolyl)-1-phenyl-pyrazole-4-carboxamide
CAS Name: 5-chloro-3-methyl-N-(8-methyl-5-quinolinyl)-1-phenyl-4-pyrazolecarboxamide
IUPAC NAME: 5-chloro-3-methyl-N-(8-methylquinolin-5-yl)-1-phenylpyrazole-4-carboxamide
SYSTEMATIC NAME: 5-chloranyl-3-methyl-N-(8-methylquinolin-5-yl)-1-phenyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C21H17ClN4O
MOLECULAR WEIGHT: 376.83888
SMILES: CC1=C2C(=C(C=C1)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl)C=CC=N2
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Product OPENEYE NAME: 2-(4-phenylphenyl)-1-(1-piperidyl)ethanone
CAS Name: 2-(4-phenylphenyl)-1-(1-piperidinyl)ethanone
IUPAC NAME: 2-(4-phenylphenyl)-1-piperidin-1-ylethanone
SYSTEMATIC NAME: 2-(4-phenylphenyl)-1-piperidin-1-yl-ethanone
MOLECULAR FORMULA: C19H21NO
MOLECULAR WEIGHT: 279.37614
SMILES: C1CCN(CC1)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3
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